1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine

C15H21N3S — CID 54322951

IUPAC1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine
SMILESCC1=C(c2csc(C)c2)CN=C1N1CCN(C)CC1
InChIInChI=1S/C15H21N3S/c1-11-8-13(10-19-11)14-9-16-15(12(14)2)18-6-4-17(3)5-7-18/h8,10H,4-7,9H2,1-3H3
InChIKeySSXKRMVSNBPGCU-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.49
Rot. Bonds1

About 1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine

1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine (PubChem CID 54322951) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine
PubChem CID54322951
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine
SMILESCC1=C(c2csc(C)c2)CN=C1N1CCN(C)CC1
InChIInChI=1S/C15H21N3S/c1-11-8-13(10-19-11)14-9-16-15(12(14)2)18-6-4-17(3)5-7-18/h8,10H,4-7,9H2,1-3H3
InChIKeySSXKRMVSNBPGCU-UHFFFAOYSA-N
XLogP2.49
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine?
The IUPAC name of 1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine (CID 54322951) is 1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine?
The canonical SMILES for 1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine is CC1=C(c2csc(C)c2)CN=C1N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine?
The InChIKey is SSXKRMVSNBPGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-8-13(10-19-11)14-9-16-15(12(14)2)18-6-4-17(3)5-7-18/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine?
1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine has a molecular weight of 275.42 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-methyl-3-(5-methylthiophen-3-yl)-2H-pyrrol-5-yl]piperazine is sourced from PubChem (CID 54322951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).